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Home > Quinoline > 386211-68-3
386211-68-3 | QuinolactacinA
CAS No: 386211-68-3 Catalog No: AG01E4DG MDL No:
Product Description
Catalog Number:
AG01E4DG
Chemical Name:
QuinolactacinA
CAS Number:
386211-68-3
Molecular Formula:
C16H18N2O2
Molecular Weight:
270.3263
IUPAC Name:
3-butan-2-yl-4-methyl-2,3-dihydropyrrolo[3,4-b]quinoline-1,9-dione
InChI:
InChI=1S/C16H18N2O2/c1-4-9(2)13-14-12(16(20)17-13)15(19)10-7-5-6-8-11(10)18(14)3/h5-9,13H,4H2,1-3H3,(H,17,20)
InChI Key:
FLHQAMWKNPOTDV-UHFFFAOYSA-N
SMILES:
CC[C@@H](C1NC(=O)c2c1n(C)c1c(c2=O)cccc1)C
Properties
Complexity:
483
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.137g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.332g/mol
Monoisotopic Mass:
270.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Biosynthesis of quinolactacin A, a TNF production inhibitor. | The Journal of antibiotics 20060701 |
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